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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00006814

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PIVPIVALIC ACIDB,D,F,H1SMR0.77
MLAMALONIC ACIDA,B1OBL0.72
MLAMALONIC ACIDA,B,C,D2FAH0.72
MLAMALONIC ACIDA,B1PQH0.72
MLAMALONIC ACIDA1O4M0.72
MLAMALONIC ACIDA2APW0.72
MLAMALONIC ACIDA1S7F0.72
MLAMALONIC ACIDT,U,X,Y1E7P0.72
MLAMALONIC ACIDA,B1RD50.72
MLAMALONIC ACIDA,B1NU40.72
MLAMALONIC ACIDA2APB0.72
MLAMALONIC ACIDA3EIF0.72
MLAMALONIC ACIDA,B,C,D2ID40.72
MLAMALONIC ACIDB2VLN0.72
MLAMALONIC ACIDA,B3BF80.72
MLAMALONIC ACIDA2G2Z0.72
MLAMALONIC ACIDB2APT0.72
MLAMALONIC ACIDA2APV0.72
MLAMALONIC ACIDA2APF0.72
MLAMALONIC ACIDA2FW00.72
MLAMALONIC ACIDA1Q440.72
MLAMALONIC ACIDB2VLP0.72
MLAMALONIC ACIDA1S1F0.72
MLAMALONIC ACIDA,B1WOM0.72
MLAMALONIC ACIDX2BRV0.72
MLAMALONIC ACIDA,B,C,D2ZBB0.72
MLAMALONIC ACIDA,B,D1T0F0.72
MLAMALONIC ACIDA2Q3M0.72
MLAMALONIC ACIDB2VLQ0.72
MLAMALONIC ACIDA,B1YS40.72
MLAMALONIC ACIDA,B3E4P0.72
MLAMALONIC ACIDA3CZA0.72
MLAMALONIC ACIDA,B3H090.72
MLAMALONIC ACIDB,D,F,H,J,L1S0Y0.72
MLAMALONIC ACIDA,B2F8A0.72
MLAMALONIC ACIDA2WAL0.72
MLAMALONIC ACIDA,B1O9P0.72
MLAMALONIC ACIDA,B,C,D,E,F,H2QAD0.72
MLAMALONIC ACIDA,B1OCL0.72
MLAMALONIC ACIDA2APX0.72
ALQ2-METHYL-PROPIONIC ACIDC,D1FKN0.72
ALQ2-METHYL-PROPIONIC ACIDC,D2ZHR0.72
ALQ2-METHYL-PROPIONIC ACIDA1IUP0.72
ALQ2-METHYL-PROPIONIC ACIDC,D1M4H0.72
ALQ2-METHYL-PROPIONIC ACIDA1R6N0.72
ALQ2-METHYL-PROPIONIC ACIDE,F,G,H1XN20.72
HIU(2R)-3-HYDROXY-2-METHYLPROPANOIC ACIDA3BPT0.91
KPLKETOPANTOATEA,B,C,D,E,F,
G,H,I,J
1M3U0.73
3PY3-HYDROXYPYRUVIC ACIDA,B,C,D1HL20.74
3PY3-HYDROXYPYRUVIC ACIDA,B1O5X0.74
3PY3-HYDROXYPYRUVIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1NFV0.74
3PY3-HYDROXYPYRUVIC ACIDA,B,C,D1FDY0.74
3OH3-HYDROXY-PROPANOIC ACIDA1M330.81
RB3(1R)-3-{[(1R)-3-METHOXY-1-METHYL-
3-OXOPROPYL]OXY}-1-METHYL-3-OXOPROPYL (3R)-
3-HYDROXYBUTANOATE
A2D810.74
DXXMETHYLMALONIC ACIDA1CWZ0.79
DXXMETHYLMALONIC ACIDA,B,C,D,E,F1ON30.79
DXXMETHYLMALONIC ACIDA1CW80.79
DGY(2R)-2,3-DIHYDROXYPROPANOIC ACIDA,B,C,D2GCG0.7
DGY(2R)-2,3-DIHYDROXYPROPANOIC ACIDA,B2BO60.7
MEV(R)-MEVALONATEA,B1QAY0.71
MEV(R)-MEVALONATEA2HFU0.71
MEV(R)-MEVALONATEA,B1R310.71
3HL(3S)-3-HYDROXYBUTANOIC ACIDA2ECQ0.8
3HL(3S)-3-HYDROXYBUTANOIC ACIDA,B,C,D3EEW0.8
BUQ4-HYDROXY-2-BUTANONEA,B1D7J0.71